Chemical Properties of Glutaric acid, monoamide, N,N-di(4-methylphenyl)-, isohexyl ester

InChI

InChI=1S/C25H33NO3/c1-19(2)7-6-18-29-25(28)9-5-8-24(27)26(22-14-10-20(3)11-15-22)23-16-12-21(4)13-17-23/h10-17,19H,5-9,18H2,1-4H3

InChI Key

JTNBDXFHNKQMDY-UHFFFAOYSA-N

Formula

C25H33NO3

SMILES

Cc1ccc(N(C(=O)CCCC(=O)OCCCC(C)C)c2ccc(C)cc2)cc1

Molecular Weight¹

395.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	110.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-404.34	kJ/mol	Joback Calculated Property
ΔfusH°	51.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.68	kJ/mol	Joback Calculated Property
log10WS	-6.71		Crippen Calculated Property
logPoct/wat	6.118		Crippen Calculated Property
McVol	334.580	ml/mol	McGowan Calculated Property
Pc	1213.20	kPa	Joback Calculated Property
Inp	[2968.00; 2968.00]
Inp	2968.00		NIST
Inp	2968.00		NIST
Tboil	976.88	K	Joback Calculated Property
Tc	1201.97	K	Joback Calculated Property
Tfus	588.95	K	Joback Calculated Property
Vc	1.262	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.49; 1165.15]	J/mol×K	[976.88; 1201.97]
Cp,gas	1091.49	J/mol×K	976.88	Joback Calculated Property
Cp,gas	1106.78	J/mol×K	1014.39	Joback Calculated Property
Cp,gas	1120.76	J/mol×K	1051.91	Joback Calculated Property
Cp,gas	1133.51	J/mol×K	1089.42	Joback Calculated Property
Cp,gas	1145.11	J/mol×K	1126.94	Joback Calculated Property
Cp,gas	1155.62	J/mol×K	1164.45	Joback Calculated Property
Cp,gas	1165.15	J/mol×K	1201.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N,N-di(4-methylphenyl)-, isohexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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